SCHEMBL20371834

SCHEMBL20371834

C=CC(O)N[C@@H]1CCN(c2n[nH]c3nccc(-c4ccc(CNC(=O)c5cc(C(C)C)no5)c(F)c4)c23)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.40
▸ MLNR O43193 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ LCK P06239 1/20 0.34
▸ SLC5A7 Q9GZV3 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20358985 0.91 BTK (0.40) BTKKCNH2LCK
SCHEMBL20358496 0.90 BTK (0.41) BTKKCNH2LCK
SCHEMBL20358613 0.88 BTK (0.41) BTKKCNH2LCK
SCHEMBL20358688 0.88 BTK (0.41) BTKKCNH2LCK
SCHEMBL20358793 0.88 BTK (0.41) BTKKCNH2LCK
SCHEMBL20371880 0.83 BTK (0.45) BTKMLNRLCK
SCHEMBL20358573 0.80 BTK (0.46) BTKLCK
SCHEMBL20359560 0.79 BTK (0.46) BTKLCK
SCHEMBL20358443 0.79 BTK (0.48) BTKLCK
SCHEMBL20359553 0.78 BTK (0.47) BTKLCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK BTK 1/4885MLNR 1993/4885KCNH2 2193/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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